1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide

C25H28N4O5S — CID 167986337

IUPAC1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2cc(NS(=O)(=O)CC3CCCC3)ccc21
InChIInChI=1S/C25H28N4O5S/c30-23(12-14-29-22-8-4-3-7-20(22)24(31)26-25(29)32)28-13-11-18-15-19(9-10-21(18)28)27-35(33,34)16-17-5-1-2-6-17/h3-4,7-10,15,17,27H,1-2,5-6,11-14,16H2,(H,26,31,32)
InChIKeyJZEBMBGMMRIYMW-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.60
Rot. Bonds7

About 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide

1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide (PubChem CID 167986337) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide
PubChem CID167986337
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2cc(NS(=O)(=O)CC3CCCC3)ccc21
InChIInChI=1S/C25H28N4O5S/c30-23(12-14-29-22-8-4-3-7-20(22)24(31)26-25(29)32)28-13-11-18-15-19(9-10-21(18)28)27-35(33,34)16-17-5-1-2-6-17/h3-4,7-10,15,17,27H,1-2,5-6,11-14,16H2,(H,26,31,32)
InChIKeyJZEBMBGMMRIYMW-UHFFFAOYSA-N
XLogP2.60
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide
CID 167743303
1-(3,5-dimethylphenyl)-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide
CID 167824850
N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]-1-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 167993185
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 166210001
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 119623359
1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 41310154
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
(2S,3aR,7aR)-1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125132531
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 166217790
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide (CID 167986337) is 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2cc(NS(=O)(=O)CC3CCCC3)ccc21.
What is the InChIKey of 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?
The InChIKey is JZEBMBGMMRIYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-23(12-14-29-22-8-4-3-7-20(22)24(31)26-25(29)32)28-13-11-18-15-19(9-10-21(18)28)27-35(33,34)16-17-5-1-2-6-17/h3-4,7-10,15,17,27H,1-2,5-6,11-14,16H2,(H,26,31,32).
What are the key properties of 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide?
1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide has a molecular weight of 496.59 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]methanesulfonamide is sourced from PubChem (CID 167986337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).